2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride

C7H7BrClNO3 — CID 174336126

IUPAC2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(O)c1NBr
InChIInChI=1S/C7H6BrNO3.ClH/c8-9-6-4(7(11)12)2-1-3-5(6)10;/h1-3,9-10H,(H,11,12);1H
InChIKeyJQEXXSGKMIQSQX-UHFFFAOYSA-N
MW268.49 g/mol
LogP2.23
Rot. Bonds2

About 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride

2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride (PubChem CID 174336126) has the molecular formula C7H7BrClNO3 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride
PubChem CID174336126
Molecular FormulaC7H7BrClNO3
Molecular Weight268.49 g/mol
Exact Mass266.93
IUPAC Name2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(O)c1NBr
InChIInChI=1S/C7H6BrNO3.ClH/c8-9-6-4(7(11)12)2-1-3-5(6)10;/h1-3,9-10H,(H,11,12);1H
InChIKeyJQEXXSGKMIQSQX-UHFFFAOYSA-N
XLogP2.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-(bromoamino)-3-hydroxybenzoic acid
CID 88986875
benzene-1,2-diol;phthalic acid
CID 160861167
CID 66717184
CID 66717184
2-[(2-bromoacetyl)amino]benzene-1,3-dicarboxylic acid
CID 21152114
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
CID 87183669
CID 87183669
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;hydrobromide
CID 70122828
2-hydroxybenzoic acid;praseodymium
CID 87786006

Frequently Asked Questions

What is the IUPAC name of 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride (CID 174336126) is 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride is Cl.O=C(O)c1cccc(O)c1NBr.
What is the InChIKey of 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride?
The InChIKey is JQEXXSGKMIQSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO3.ClH/c8-9-6-4(7(11)12)2-1-3-5(6)10;/h1-3,9-10H,(H,11,12);1H.
What are the key properties of 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride?
2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride has a molecular weight of 268.49 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromoamino)-3-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 174336126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).